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. 2021 May 8;18(9):4999. doi: 10.3390/ijerph18094999
Abbreviations in English Full English Name
PCBs Polychlorinated biphenyls
POPs Persistent organic pollutants
E1 Estrone
E2 17β-estradiol
3D-QSAR Three-dimensional quantitative structure-activity relationship
hERα Human oestrogen receptor α
REC20 Estrogen Activity Indicators
CoMSIA Comparative molecular similarity index analysis
n Optimal number of principal components
q2 Cross-validation coefficient
r2 Non-cross-validation coefficient
SEE Standard deviation
F F-test value
r2pred external test coefficient
SEP Standard error of prediction
Q2ext External sample calibration complex correlation coefficient
E Electrostatic field
H Hydrophobic field
S Stereo field
D Hydrogen bond donor field
A Hydrogen bond acceptor field
PDB Protein Data Bank
NCBI National Centre for Biotechnology Information
MD Molecular docking
logBCF Bioconcentration factors
logt1/2 Biological Half-life
logKOA N-octanol/air partitioning coefficients